| Identification | More | [Name]
1-Hexyne | [CAS]
693-02-7 | [Synonyms]
1-HEXYNE
Butyl acetyne
HEXYNE(1-)
N-BUTYLACETYLENE
Butylacetylene
C4H9CequivCH
Hex-1-yne
Hexyne
1-Hexyne,>99%
1-Hexyne98%
1-Hexyne (8CI, 9CI)
1-Hexin
5-Hexyne | [EINECS(EC#)]
211-736-9 | [Molecular Formula]
C6H10 | [MDL Number]
MFCD00009504 | [Molecular Weight]
82.14 | [MOL File]
693-02-7.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
-132 °C | [Boiling point ]
71-72 °C(lit.)
| [density ]
0.715 g/mL at 25 °C(lit.)
| [vapor pressure ]
253 mm Hg ( 37.7 °C)
| [refractive index ]
n20/D 1.399(lit.)
| [Fp ]
−6 °F
| [storage temp. ]
0-6°C | [solubility ]
0.36g/l (experimental) | [form ]
Liquid | [color ]
Clear colorless | [Specific Gravity]
0.715 | [Stability:]
Stable. Incompatible with strong oxidizing agents. Highly flammable-readily forms explosive mixtures with air. | [Water Solubility ]
Miscible with organic solvents. Immiscible with water. | [BRN ]
635687 | [InChI]
1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3 | [InChIKey]
CGHIBGNXEGJPQZ-UHFFFAOYSA-N | [SMILES]
CCCCC#C | [CAS DataBase Reference]
693-02-7(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Hexyne(693-02-7) | [EPA Substance Registry System]
693-02-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS02,GHS07,GHS08 | [Signal word ]
Danger | [Hazard statements ]
H225-H304-H315-H319-H335 | [Precautionary statements ]
P210-P233-P301+P310-P303+P361+P353-P305+P351+P338-P331 | [Hazard Codes ]
F,Xn,Xi | [Risk Statements ]
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R65:Harmful: May cause lung damage if swallowed. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S9:Keep container in a well-ventilated place .
S33:Take precautionary measures against static discharges .
S7/9:Keep container tightly closed and in a well-ventilated place . | [RIDADR ]
UN 3295 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
MQ9691000
| [F ]
10-23 | [Autoignition Temperature]
263 °C | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29012980 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Asp. Tox. 1
Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Hazard]
Probably flammable. | [Chemical Properties]
colourless liquid | [Uses]
1-Hexyne is used in the preparation of tricyclic isoindolinone scaffold by undergoing hydrozirconation and ring-closing metathesis. It is used to prepare trans-1,2-bis(5-thianthreniumyl)alkene tetrafluoroborate by reacting with thianthrene cation radical tetrafluoroborate. | [Definition]
ChEBI: 1-hexyne is a terminal acetylenic compound that is hexane carrying a triple bond at position 1. It is a terminal acetylenic compound, an alkyne and a volatile organic compound. | [General Description]
1-Hexyne reacted with thianthrene cation radical tetrafluoroborate to form trans-1,2-bis(5-thianthreniumyl)alkene tetrafluoroborate. | [Purification Methods]
Distil it from NaBH4 to remove peroxides. Stand over sodium for 24hours, then fractionally distil it under reduced pressure. Also dry it by repeated vacuum transfer into freshly activated 4A molecular sieves, followed by vacuum transfer onto Na/K alloy and stirring for 1hour before fractionally distilling. [Beilstein 1 IV 1006.] |
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